[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H34N2O5S/c1-15(2)12-23(13-16(3)4)19(24)14-28-21(25)20(17(5)6)22-29(26,27)18-10-8-7-9-11-18/h7-11,15-17,20,22H,12-14H2,1-6H3/t20-/m0/s1